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canSAR828409
FEATURES
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NAMES
    SMILES
    CCOc1ccc(C[C@@H](NC(=O)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)C(C)C)cc1
    InChI
    InChI=1S/C54H77N13O10/c1-4-77-37-24-22-36(23-25-37)30-40(61-45(69)31-35-17-9-6-10-18-35)48(71)64-41(29-34-15-7-5-8-16-34)50(73)66-46(33(2)3)52(75)65-42(32-44(56)68)49(72)63-39(19-11-12-26-55)53(76)67-28-14-21-43(67)51(74)62-38(47(57)70)20-13-27-60-54(58)59/h5-10,15-18,22-25,33,38-43,46H,4,11-14,19-21,26-32,55H2,1-3H3,(H2,56,68)(H2,57,70)(H,61,69)(H,62,74)(H,63,72)(H,64,71)(H,65,75)(H,66,73)(H4,58,59,60)/t38-,39-,40+,41-,42-,43+,46-/m0/s1
    MOLECULAR FORMULA
    C54H77N13O10
    CROSS REFERENCES
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    canSAR828409

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1067.59
    AlogP -0.79
    HBond donors 16
    HBond acceptors 23
    Atoms 154
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR828409.